4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide

C21H24N4O3S — CID 30864372

IUPAC4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc1
InChIInChI=1S/C21H24N4O3S/c1-27-17-6-4-15(5-7-17)8-11-22-21(26)25-12-9-16(10-13-25)19-23-24-20(29-19)18-3-2-14-28-18/h2-7,14,16H,8-13H2,1H3,(H,22,26)
InChIKeyFOEQPKVIWFXMFL-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.94
Rot. Bonds6

About 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide

4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 30864372) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
PubChem CID30864372
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc1
InChIInChI=1S/C21H24N4O3S/c1-27-17-6-4-15(5-7-17)8-11-22-21(26)25-12-9-16(10-13-25)19-23-24-20(29-19)18-3-2-14-28-18/h2-7,14,16H,8-13H2,1H3,(H,22,26)
InChIKeyFOEQPKVIWFXMFL-UHFFFAOYSA-N
XLogP3.94
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

1-(furan-2-carbonyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6463555
(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 30864174
(2,4-Difluorophenyl)(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 30864184
(3,4-Difluorophenyl)(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 30864187
(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 30864192
N-(4-fluorobenzyl)-4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 30864365
N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 30864370
N-[2-(p-methoxyphenyl)ethyl]-(S)-3-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]-1-piperidinecarboxamide
CID 30863776
1-{4-[5-(2-Furyl)-1,3,4-thiadiazol-2-yl]-1-piperidyl}-1-ethanone
CID 30864160
(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(phenyl)methanone
CID 30864180
1-(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)-2-phenoxyethanone
CID 30864190
N-(tert-butyl)-4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 30864363

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide (CID 30864372) is 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide is COc1ccc(CCNC(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc1.
What is the InChIKey of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is FOEQPKVIWFXMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-27-17-6-4-15(5-7-17)8-11-22-21(26)25-12-9-16(10-13-25)19-23-24-20(29-19)18-3-2-14-28-18/h2-7,14,16H,8-13H2,1H3,(H,22,26).
What are the key properties of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 30864372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).